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Substance Name: 1-Heptanaminium, N,N'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, diiodide
RN: 95521-18-9
InChIKey: VJABPJBSDMZRDS-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H54-N2-O4.I2

Molecular Weight

  • 712.523
 
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Names and Synonyms

Synonym

  • N,N'-((1,4-Dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-1-heptanaminium) 2I

Systematic Name

  • 1-Heptanaminium, N,N'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(N,N-dimethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 95521-18-9

System Generated Number

  • 0095521189

Molecular Formulas

Molecular Formula

  • C26-H54-N2-O4.I2

Molecular Formula Fragments

  • C26-H54-N2-O4
  • COMPONENT
  • I2

Structure Descriptors

InChI

1S/C26H54N2O4.2HI/c1-7-9-11-13-15-19-27(3,4)21-23-31-25(29)17-18-26(30)32-24-22-28(5,6)20-16-14-12-10-8-2;;/h7-24H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

VJABPJBSDMZRDS-UHFFFAOYSA-L

Smiles

[N+](CCOC(CCC(OCC[N+](CCCCCCC)(C)C)=O)=O)(CCCCCCC)(C)C.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 36mg/kg (36mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 754, 1984.